Fixes CI errors and move to qmllib. #13
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This way the reorder of the solute and solvent do not interfere with each other.
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #13 +/- ##
==========================================
+ Coverage 57.50% 57.94% +0.43%
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Files 7 7
Lines 553 573 +20
==========================================
+ Hits 318 332 +14
- Misses 235 241 +6 ☔ View full report in Codecov by Sentry. |
Perform the reorder of the solvent atoms separetely.
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